(2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid

C12H23NO4S — CID 114264495

IUPAC(2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid
SMILESCC(C)S(=O)(=O)N[C@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C12H23NO4S/c1-9(2)18(16,17)13-11(12(14)15)8-10-6-4-3-5-7-10/h9-11,13H,3-8H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyUFGAOUIVTGLXJO-LLVKDONJSA-N
MW277.39 g/mol
LogP1.74
Rot. Bonds6

About (2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid

(2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid (PubChem CID 114264495) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is (2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid
PubChem CID114264495
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name(2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid
SMILESCC(C)S(=O)(=O)N[C@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C12H23NO4S/c1-9(2)18(16,17)13-11(12(14)15)8-10-6-4-3-5-7-10/h9-11,13H,3-8H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyUFGAOUIVTGLXJO-LLVKDONJSA-N
XLogP1.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 142921806
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(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-cyclohexylpropanoic acid
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(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
(2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid
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3-cyclobutyl-2-(oxan-2-ylmethylsulfonylamino)propanoic acid
CID 146127666
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
(Z)-1,7-dicyclopentyl-5-hydroxy-2,6-dimethylhept-4-en-3-one
CID 167032941
[(2S)-1-cyclododecylpropan-2-yl] acetate
CID 7452366
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CID 61065990
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CID 61155518

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid?
The IUPAC name of (2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid (CID 114264495) is (2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid?
The canonical SMILES for (2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid is CC(C)S(=O)(=O)N[C@H](CC1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid?
The InChIKey is UFGAOUIVTGLXJO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-9(2)18(16,17)13-11(12(14)15)8-10-6-4-3-5-7-10/h9-11,13H,3-8H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid?
(2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid has a molecular weight of 277.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 114264495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).